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. 2015 Sep 26;71(Pt 10):1242-4.
doi: 10.1107/S2056989015017673. eCollection 2015 Oct 1.

Crystal structure of 5-[4-(di-ethyl-amino)-benzyl-idene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Egija Stepina  1 , Dmitrijs Stepanovs  2 , Inese Mierina  1 , Mara Jure  1
Affiliations

Crystal structure of 5-[4-(di-ethyl-amino)-benzyl-idene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Egija Stepina et al. Acta Crystallogr E Crystallogr Commun. .

Abstract

The title compound, C17H21NO4, consists of substituted Meldrum's acid with a [4-(di-ethyl-amino)-phen-yl]methyl-idene fragment attached to the fifth position. The heterocycle assumes a distorted boat conformation. The planar part of heterocycle is almost coplanar with the benzene ring due to the presence of a long conjugated system in the mol-ecule. This leads to the formation of C-H⋯O-type intra-molecular contacts. As a result of the absence of hydrogen-bond donors in the structure, the crystal packing is controlled by van der Waals forces and weak C-H⋯O inter-actions, which associate the mol-ecules into inversion dimers.

Keywords: 5-aryl­methyl­ene-2,2-dimethyl-1,3-dioxan-4,6-dione; aryl­idene Meldrum’s acid; crystal structure; intra­molecular hydrogen bonding; organic synthesis.

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Figures

Figure 1
Figure 1
The mol­ecular structure the title compound, showing 50% probability displacement ellipsoids and the atomic numbering
Figure 2
Figure 2
The crystal packing of the title compound, viewed along the b axis. Hydrogen bonds are shown as dashed lines (see Table 1 ▸ for details).
See this image and copyright information in PMC

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